| SpectraBase Spectrum ID |
JlITqQPU7F4 |
| Name |
2-(2-Hydroxy-3,4-diacetoxy-phenyl)-3,7-diacetoxy-5-hydroxy-1,4-benzopyrone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
488.095476072 u |
| Formula |
C23H20O12 |
| InChI |
InChI=1S/C23H20O12/c1-9(24)31-13-7-15(28)18-17(8-13)35-21(23(20(18)30)34-12(4)27)14-5-6-16(32-10(2)25)22(19(14)29)33-11(3)26/h5-8,21,23,28-29H,1-4H3 |
| InChIKey |
KUASXNBCCQYWOA-UHFFFAOYSA-N |
| Molecular Weight |
488.401 g/mol |
| SMILES |
C1(C(C(C=2C(=C(OC(=O)C)C(=CC2)OC(=O)C)O)OC=2C1=C(C=C(OC(=O)C)C2)O)OC(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919803 |
